#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whu h VAL 3 N 0.00 0.82 -3.88 2.46 2.07 -1.98 -3.38 116.25 112.35 2whu h VAL 3 Ca 0.00 -0.11 -0.69 0.00 0.82 0.00 0.00 66.70 66.72 2whu h VAL 3 Cb 0.00 0.46 -0.32 0.00 -1.52 0.00 0.00 31.29 29.91 2whu h VAL 3 CO 0.00 0.06 -0.88 -0.63 0.02 0.00 0.00 177.57 176.14 2whu s ILE 4 N -5.32 2.04 0.62 4.57 1.01 -1.26 -4.87 121.20 117.99 2whu s ILE 4 Ca -0.07 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.56 2whu s ILE 4 Cb 0.20 -1.73 0.09 0.00 0.01 0.00 0.00 42.46 41.03 2whu s ILE 4 CO 0.75 0.57 0.86 0.00 0.00 0.00 0.00 174.94 177.12 2whu s ALA 5 N -0.06 4.13 -0.01 9.38 0.00 -1.26 -5.07 121.76 128.87 2whu s ALA 5 Ca -0.07 -1.80 -0.06 0.00 0.00 0.00 0.00 51.96 50.04 2whu s ALA 5 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2whu s ALA 5 CO 0.05 -1.06 0.56 0.87 0.00 0.00 0.00 175.76 176.18 2whu h LYS 6 N -0.11 -0.20 -6.36 0.00 1.57 -1.97 -3.43 116.57 106.08 2whu h LYS 6 Ca -0.35 0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 57.89 2whu h LYS 6 Cb 1.28 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 2whu h LYS 6 CO 0.43 -0.13 0.08 -1.14 -0.57 0.00 0.00 179.45 178.11 2whu s GLN 7 N -2.48 4.40 -0.28 3.15 2.00 -1.26 -4.00 119.66 121.18 2whu s GLN 7 Ca -0.03 0.95 -0.15 0.00 -2.00 0.00 0.00 55.36 54.13 2whu s GLN 7 Cb 0.00 -3.27 0.10 0.00 0.80 0.00 0.00 33.01 30.65 2whu s GLN 7 CO 0.09 0.56 0.76 -1.64 -0.50 0.00 0.00 175.29 174.56 2whu s MET 8 N -0.97 0.61 0.71 1.67 -1.94 -1.16 -5.05 119.30 113.16 2whu s MET 8 Ca 0.33 1.11 0.02 0.00 -1.71 0.00 0.00 55.69 55.43 2whu s MET 8 Cb -0.21 0.21 0.14 0.00 2.01 0.00 0.00 34.83 36.98 2whu s MET 8 CO 0.22 -0.14 0.98 0.25 -0.01 0.00 0.00 175.02 176.32 2whu n THR 9 N 4.32 0.00 -3.80 2.05 -2.24 0.12 -3.69 114.28 111.04 2whu n THR 9 Ca -0.18 -1.68 -0.05 0.00 -2.27 0.00 0.00 64.05 59.87 2whu n THR 9 Cb 0.57 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 2whu n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2whu s TYR 10 N -3.05 -0.11 -0.03 4.78 -0.85 -1.21 -1.76 117.35 115.12 2whu s TYR 10 Ca 0.66 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.96 2whu s TYR 10 Cb -0.04 0.68 0.01 0.00 0.38 0.00 0.00 41.96 42.99 2whu s TYR 10 CO 0.44 -1.01 -0.05 0.21 -1.52 0.00 0.00 175.55 173.62 2whu s LYS 11 N -3.32 0.68 0.16 -3.49 2.47 -0.81 -0.08 119.74 115.34 2whu s LYS 11 Ca 0.13 -0.14 0.10 0.00 -1.56 0.00 0.00 55.97 54.49 2whu s LYS 11 Cb -0.03 -0.69 -0.04 0.00 -1.46 0.00 0.00 37.83 35.61 2whu s LYS 11 CO 0.05 0.00 -0.17 0.54 0.16 0.00 0.00 175.35 175.92 2whu s VAL 12 N 0.51 2.80 -0.31 4.02 0.11 -0.79 -0.93 120.40 125.82 2whu s VAL 12 Ca -0.06 -1.70 -0.02 0.00 -2.93 0.00 0.00 61.98 57.26 2whu s VAL 12 Cb -0.10 -2.33 0.11 0.00 -1.53 0.00 0.00 36.38 32.53 2whu s VAL 12 CO -0.00 -0.03 0.15 -0.31 -3.33 0.00 0.00 175.10 171.59 2whu s TYR 13 N -1.46 0.59 0.05 1.54 1.51 -0.34 -2.71 117.35 116.53 2whu s TYR 13 Ca 0.21 -1.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2whu s TYR 13 Cb -0.09 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2whu s TYR 13 CO 0.11 -0.83 0.13 1.41 -1.11 0.00 0.00 175.55 175.26 2whu s MET 14 N 1.73 3.14 -0.07 -0.62 1.75 0.72 -2.16 119.30 123.79 2whu s MET 14 Ca 0.12 -0.54 -0.28 0.00 -1.25 0.00 0.00 55.69 53.74 2whu s MET 14 Cb -0.18 -2.89 0.06 0.00 2.84 0.00 0.00 34.83 34.67 2whu s MET 14 CO -0.24 0.61 0.64 -1.54 -0.65 0.00 0.00 175.02 173.83 2whu s SER 15 N -2.26 -0.61 0.00 1.11 1.04 -0.90 -1.69 113.70 110.39 2whu s SER 15 Ca 0.30 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2whu s SER 15 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2whu s SER 15 CO 0.22 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2whu n GLY 16 N 1.20 -1.00 2.78 7.32 0.00 -0.66 -2.06 105.19 112.78 2whu n GLY 16 Ca -0.19 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 2whu n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whu s THR 17 N -3.00 -0.26 -0.18 2.61 2.01 -0.64 -0.73 115.64 115.45 2whu s THR 17 Ca 0.00 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2whu s THR 17 Cb 0.00 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.07 2whu s THR 17 CO 0.00 -0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.07 2whu s VAL 18 N 2.28 1.71 -1.57 3.82 1.01 0.58 -0.83 120.40 127.41 2whu s VAL 18 Ca 0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2whu s VAL 18 Cb -0.14 -1.68 0.14 0.00 0.00 0.00 0.00 36.38 34.70 2whu s VAL 18 CO -0.08 0.33 0.73 0.59 0.00 0.00 0.00 175.10 176.67 2whu n ASN 19 N 4.69 -3.47 0.00 3.32 4.13 0.60 -1.48 115.26 123.05 2whu n ASN 19 Ca -0.17 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.26 2whu n ASN 19 Cb 0.48 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.88 2whu n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2whu n GLY 20 N -1.34 2.98 3.70 7.41 0.00 -1.26 -5.06 105.19 111.63 2whu n GLY 20 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2whu n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whu s HIS 21 N -2.85 3.60 -0.05 1.61 5.04 -0.55 -4.99 115.29 117.09 2whu s HIS 21 Ca 0.00 1.54 -0.14 0.00 -1.54 0.00 0.00 55.06 54.92 2whu s HIS 21 Cb 0.00 -3.05 -0.05 0.00 0.04 0.00 0.00 32.58 29.52 2whu s HIS 21 CO 0.00 -0.04 0.36 -0.47 -2.34 0.00 0.00 174.74 172.25 2whu s TYR 22 N 1.21 3.65 0.04 3.88 5.04 -1.26 -0.31 117.35 129.61 2whu s TYR 22 Ca 0.47 0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 2whu s TYR 22 Cb -0.19 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.81 2whu s TYR 22 CO 0.23 0.55 -0.01 -0.59 -1.34 0.00 0.00 175.55 174.38 2whu s PHE 23 N -0.66 0.41 0.00 4.97 -0.12 0.09 -4.01 117.98 118.66 2whu s PHE 23 Ca 0.22 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 2whu s PHE 23 Cb -0.15 -0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 41.92 2whu s PHE 23 CO 0.10 -0.34 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.68 2whu s GLU 24 N -3.21 0.32 -0.09 1.99 2.02 0.24 -1.65 118.70 118.32 2whu s GLU 24 Ca 0.00 -0.23 -0.10 0.00 0.02 0.00 0.00 54.97 54.66 2whu s GLU 24 Cb 0.03 -0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.03 2whu s GLU 24 CO -0.07 0.07 0.28 0.08 0.02 0.00 0.00 175.26 175.63 2whu s VAL 25 N -0.32 0.01 0.02 2.63 1.01 -0.68 -0.12 120.40 122.95 2whu s VAL 25 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2whu s VAL 25 Cb -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2whu s VAL 25 CO -0.00 -0.05 0.32 -1.61 0.00 0.00 0.00 175.10 173.76 2whu s GLU 26 N -0.08 0.76 0.00 2.72 2.02 -0.36 -0.20 118.70 123.56 2whu s GLU 26 Ca -0.02 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 2whu s GLU 26 Cb -0.03 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2whu s GLU 26 CO 0.01 -0.23 0.05 0.41 0.02 0.00 0.00 175.26 175.52 2whu n GLY 27 N 0.89 1.05 3.06 -1.39 0.00 -1.10 -0.94 105.19 106.76 2whu n GLY 27 Ca -0.20 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2whu n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2whu s ASP 28 N -1.11 2.85 0.98 1.61 1.01 -0.83 -1.88 116.67 119.29 2whu s ASP 28 Ca 0.01 -0.55 -0.16 0.00 0.71 0.00 0.00 52.55 52.56 2whu s ASP 28 Cb -0.00 -1.29 0.20 0.00 1.01 0.00 0.00 42.92 42.84 2whu s ASP 28 CO 0.00 -0.04 1.29 -0.83 0.21 0.00 0.00 175.17 175.80 2whu s GLY 29 N 1.42 1.74 0.04 0.21 0.00 0.88 -2.77 107.32 108.83 2whu s GLY 29 Ca 0.05 -1.12 -0.27 0.00 0.00 0.00 0.00 44.72 43.37 2whu s GLY 29 CO -0.12 -0.36 1.22 1.25 0.00 0.00 0.00 173.10 175.09 2whu s LYS 30 N -5.80 0.63 0.00 2.90 2.20 -1.25 -3.30 119.74 115.12 2whu s LYS 30 Ca 0.73 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2whu s LYS 30 Cb -0.05 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 2whu s LYS 30 CO 0.53 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 2whu n GLY 31 N -0.74 0.01 2.89 5.54 0.00 -1.24 -3.07 105.19 108.58 2whu n GLY 31 Ca -0.01 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 2whu n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whu s LYS 32 N -0.04 1.05 -0.06 1.61 1.02 -0.80 -2.98 119.74 119.54 2whu s LYS 32 Ca 0.00 -0.14 0.09 0.00 0.02 0.00 0.00 55.97 55.94 2whu s LYS 32 Cb 0.00 -1.08 0.37 0.00 -0.52 0.00 0.00 37.83 36.60 2whu s LYS 32 CO 0.00 -0.13 1.20 -0.35 -0.92 0.00 0.00 175.35 175.15 2whu n PRO 33 N 4.36 2.42 -0.00 -1.68 -0.04 -1.26 -2.88 135.00 135.92 2whu n PRO 33 Ca -0.19 -1.46 0.07 0.00 -0.04 0.00 0.00 63.50 61.88 2whu n PRO 33 Cb 0.51 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2whu n PRO 33 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2whu n TYR 34 N 0.45 0.00 0.06 0.54 4.01 -1.26 -3.99 117.16 116.96 2whu n TYR 34 Ca 0.13 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.97 2whu n TYR 34 Cb 0.52 -0.17 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 2whu n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2whu n GLU 35 N -1.68 0.60 -0.80 -0.72 -0.58 -1.18 -4.55 120.64 111.72 2whu n GLU 35 Ca -0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2whu n GLU 35 Cb 0.31 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2whu n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2whu n GLY 36 N 1.41 0.56 3.86 0.62 0.00 -1.14 -4.09 105.19 106.41 2whu n GLY 36 Ca -0.03 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2whu n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2whu s GLU 37 N -0.73 3.29 0.11 1.61 2.02 -1.15 -0.01 118.70 123.84 2whu s GLU 37 Ca 0.00 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 2whu s GLU 37 Cb 0.00 -3.01 0.08 0.00 0.10 0.00 0.00 34.13 31.30 2whu s GLU 37 CO 0.00 0.67 0.71 1.14 0.02 0.00 0.00 175.26 177.80 2whu s GLN 38 N -1.81 1.14 0.00 1.61 -2.07 -0.31 -1.90 119.66 116.32 2whu s GLN 38 Ca 0.25 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 2whu s GLN 38 Cb -0.12 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2whu s GLN 38 CO 0.16 -0.50 0.00 0.25 -1.32 0.00 0.00 175.29 173.88 2whu n THR 39 N -0.34 0.00 0.00 3.63 -2.24 -1.18 -2.01 114.28 112.14 2whu n THR 39 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2whu n THR 39 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2whu n THR 39 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2whu n VAL 40 N 0.00 0.00 -4.12 2.28 3.14 -1.23 -3.89 118.33 114.51 2whu n VAL 40 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 2whu n VAL 40 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 2whu n VAL 40 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2whu s LYS 41 N -0.66 3.76 0.38 1.45 1.02 -1.11 -2.30 119.74 122.28 2whu s LYS 41 Ca 0.00 -0.45 0.08 0.00 0.02 0.00 0.00 55.97 55.61 2whu s LYS 41 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2whu s LYS 41 CO 0.00 0.15 0.20 -0.51 -0.92 0.00 0.00 175.35 174.27 2whu s LEU 42 N 0.66 3.22 -0.17 3.17 2.01 -0.48 -1.97 118.68 125.12 2whu s LEU 42 Ca 0.01 -0.89 -0.07 0.00 0.01 0.00 0.00 54.13 53.19 2whu s LEU 42 Cb -0.14 -1.67 0.07 0.00 0.01 0.00 0.00 46.19 44.47 2whu s LEU 42 CO 0.02 -0.46 0.37 -0.89 1.01 0.00 0.00 176.35 176.40 2whu s THR 43 N -2.50 -0.40 0.23 5.49 2.01 -0.12 -3.58 115.64 116.77 2whu s THR 43 Ca 0.41 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2whu s THR 43 Cb -0.00 -0.59 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 2whu s THR 43 CO 0.24 0.07 1.08 -0.69 -0.69 0.00 0.00 174.62 174.63 2whu s VAL 44 N 2.17 3.70 0.00 3.82 1.01 0.02 -1.22 120.40 129.90 2whu s VAL 44 Ca -0.04 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.55 2whu s VAL 44 Cb -0.11 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2whu s VAL 44 CO -0.12 0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.68 2whu n THR 45 N 1.70 0.00 -3.66 3.92 -2.24 0.83 -4.91 114.28 109.91 2whu n THR 45 Ca 0.00 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 2whu n THR 45 Cb 0.46 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 2whu n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2whu s LYS 46 N -1.15 0.42 0.00 -0.78 2.20 -0.65 -4.87 119.74 114.92 2whu s LYS 46 Ca 0.00 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2whu s LYS 46 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2whu s LYS 46 CO 0.00 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 2whu n GLY 47 N 5.08 0.78 3.77 5.54 0.00 -1.26 0.79 105.19 119.90 2whu n GLY 47 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2whu n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whu s GLY 48 N -1.97 2.92 0.31 -0.02 0.00 -1.26 -3.87 107.32 103.44 2whu s GLY 48 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.06 2whu s GLY 48 CO 0.00 2.04 0.62 2.56 0.00 0.00 0.00 173.10 178.32 2whu s PRO 49 N -2.36 3.73 0.04 2.90 0.04 -1.26 -5.07 135.00 133.02 2whu s PRO 49 Ca 0.59 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2whu s PRO 49 Cb -0.43 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 2whu s PRO 49 CO 0.55 0.16 1.60 -0.51 0.04 0.00 0.00 177.00 178.84 2whu s LEU 50 N -3.45 4.35 0.00 -3.56 1.43 -1.25 -4.86 118.68 111.33 2whu s LEU 50 Ca 0.47 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 2whu s LEU 50 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2whu s LEU 50 CO 0.28 -0.85 0.36 -0.81 0.23 0.00 0.00 176.35 175.55 2whu n PRO 51 N 5.77 0.51 -4.05 1.29 -0.04 -1.26 -4.87 135.00 132.35 2whu n PRO 51 Ca 0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2whu n PRO 51 Cb 0.42 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2whu n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2whu s PHE 52 N -0.41 0.64 -0.10 0.54 -0.12 -1.26 -4.71 117.98 112.56 2whu s PHE 52 Ca 0.00 -0.96 -0.29 0.00 -0.05 0.00 0.00 56.93 55.63 2whu s PHE 52 Cb 0.00 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 2whu s PHE 52 CO 0.00 -0.97 1.92 0.00 -0.05 0.00 0.00 175.22 176.12 2whu s ALA 53 N -3.83 3.30 0.24 1.99 0.00 -0.15 -4.77 121.76 118.54 2whu s ALA 53 Ca 0.27 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2whu s ALA 53 Cb 0.01 -3.89 0.30 0.00 0.00 0.00 0.00 23.12 19.53 2whu s ALA 53 CO 0.12 -1.95 1.88 2.35 0.00 0.00 0.00 175.76 178.15 2whu h TRP 54 N 11.65 1.08 -0.17 0.00 2.91 -1.95 -2.18 115.95 127.29 2whu h TRP 54 Ca -0.43 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.67 2whu h TRP 54 Cb 1.21 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 2whu h TRP 54 CO 0.93 0.60 0.42 -0.44 -1.03 0.00 0.00 178.44 178.93 2whu h ASP 55 N 1.11 0.00 0.55 2.65 3.32 -1.93 0.36 116.42 122.48 2whu h ASP 55 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2whu h ASP 55 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2whu h ASP 55 CO -0.13 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.69 2whu n ILE 56 N -3.19 0.87 -0.06 0.35 -5.35 -0.82 -3.00 119.36 108.17 2whu n ILE 56 Ca 0.02 0.22 -0.19 0.00 -0.27 0.00 0.00 62.75 62.53 2whu n ILE 56 Cb 0.52 -0.94 -0.13 0.00 -1.74 0.00 0.00 39.64 37.35 2whu n ILE 56 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2whu n LEU 57 N -1.50 2.56 -0.36 7.28 4.77 0.13 -4.68 117.00 125.20 2whu n LEU 57 Ca 0.04 0.06 0.27 0.00 -0.03 0.00 0.00 56.01 56.35 2whu n LEU 57 Cb 0.19 -0.88 0.54 0.00 -2.33 0.00 0.00 43.42 40.94 2whu n LEU 57 CO 0.15 0.85 1.19 0.77 -1.33 0.00 0.00 177.39 179.02 2whu h SER 58 N 0.03 0.42 -0.00 -1.43 4.64 -1.54 0.51 113.55 116.18 2whu h SER 58 Ca -0.49 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2whu h SER 58 Cb 1.99 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 2whu h SER 58 CO 0.01 -0.07 -0.00 -0.81 -0.87 0.00 0.00 176.83 175.09 2whu n PRO 59 N -4.80 1.31 -0.41 4.77 -0.04 -1.26 -3.41 135.00 131.15 2whu n PRO 59 Ca 0.31 -0.45 0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2whu n PRO 59 Cb 1.08 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 33.37 2whu n PRO 59 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2whu n GLN 60 N -0.46 2.94 -2.50 0.54 1.13 0.18 -4.88 117.38 114.32 2whu n GLN 60 Ca 0.22 -2.69 -0.31 0.00 -1.94 0.00 0.00 57.00 52.28 2whu n GLN 60 Cb 0.22 -1.62 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 2whu n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2whu n LEU 61 N 1.50 5.43 0.00 1.08 4.77 -1.22 -4.94 117.00 123.62 2whu n LEU 61 Ca 0.24 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 2whu n LEU 61 Cb 0.67 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2whu n LEU 61 CO 0.18 2.16 0.00 -0.24 -1.33 0.00 0.00 177.39 178.16 2whu n SER 65 N -0.40 0.00 0.07 -1.43 2.88 -1.26 -5.02 113.62 108.47 2whu n SER 65 Ca 0.41 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.99 2whu n SER 65 Cb 0.48 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.42 2whu n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2whu h ILE 66 N 0.00 1.08 -0.53 2.46 1.08 -2.02 -2.46 117.51 117.13 2whu h ILE 66 Ca 0.00 -0.17 0.22 0.00 -0.39 0.00 0.00 64.86 64.52 2whu h ILE 66 Cb 0.00 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 34.32 2whu h ILE 66 CO 0.00 0.08 0.29 -2.65 -0.69 0.00 0.00 178.15 175.18 2whu n PRO 67 N -4.48 -0.03 -2.10 2.37 -0.02 -1.26 -2.40 135.00 127.08 2whu n PRO 67 Ca 0.01 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 2whu n PRO 67 Cb 0.08 -1.28 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2whu n PRO 67 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2whu n PHE 68 N -4.15 2.77 -4.70 6.00 3.01 -0.93 -4.61 117.46 114.85 2whu n PHE 68 Ca 0.20 -2.83 -0.30 0.00 1.01 0.00 0.00 57.45 55.53 2whu n PHE 68 Cb 0.68 -1.96 -0.13 0.00 -0.01 0.00 0.00 39.48 38.06 2whu n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2whu s THR 69 N -0.05 2.53 -0.03 4.37 2.01 -1.01 -4.19 115.64 119.27 2whu s THR 69 Ca 0.48 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2whu s THR 69 Cb 0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2whu s THR 69 CO -0.04 0.31 0.97 -0.75 -0.69 0.00 0.00 174.62 174.42 2whu s LYS 70 N -1.46 4.51 0.06 4.92 2.20 -0.27 -4.09 119.74 125.60 2whu s LYS 70 Ca 0.14 1.38 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 2whu s LYS 70 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2whu s LYS 70 CO 0.04 -0.12 -0.12 0.71 -0.36 0.00 0.00 175.35 175.51 2whu s TYR 71 N 1.29 2.72 -0.19 4.03 1.51 -1.26 -1.96 117.35 123.48 2whu s TYR 71 Ca 0.50 -0.16 -0.25 0.00 -1.01 0.00 0.00 57.07 56.15 2whu s TYR 71 Cb -0.20 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 2whu s TYR 71 CO 0.25 0.36 0.84 -1.25 -1.11 0.00 0.00 175.55 174.63 2whu s PRO 72 N -1.74 4.26 0.44 -1.71 0.04 -1.26 -4.88 135.00 130.14 2whu s PRO 72 Ca 0.18 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2whu s PRO 72 Cb -0.11 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2whu s PRO 72 CO 0.09 -0.40 0.71 0.39 0.04 0.00 0.00 177.00 177.84 2whu n GLU 73 N 5.50 0.02 -0.44 4.56 1.02 -1.26 0.34 120.64 130.39 2whu n GLU 73 Ca 0.05 0.64 0.08 0.00 -0.02 0.00 0.00 57.16 57.91 2whu n GLU 73 Cb 0.48 -1.88 0.28 0.00 -0.02 0.00 0.00 31.44 30.31 2whu n GLU 73 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2whu n ASP 74 N -1.87 4.02 -4.19 1.62 5.75 -1.26 -4.85 116.55 115.77 2whu n ASP 74 Ca 0.00 -2.38 -0.32 0.00 -0.01 0.00 0.00 54.79 52.07 2whu n ASP 74 Cb 0.71 -0.47 -0.17 0.00 -1.03 0.00 0.00 41.12 40.16 2whu n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2whu s ILE 75 N -1.71 2.05 -0.50 2.12 1.01 1.05 -5.07 121.20 120.15 2whu s ILE 75 Ca 0.41 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 2whu s ILE 75 Cb 0.27 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 2whu s ILE 75 CO 0.20 0.55 2.27 -2.84 0.00 0.00 0.00 174.94 175.12 2whu s PRO 76 N 0.56 2.29 -0.57 2.79 0.02 -1.26 -4.65 135.00 134.17 2whu s PRO 76 Ca -0.13 1.27 -0.26 0.00 0.02 0.00 0.00 61.00 61.89 2whu s PRO 76 Cb -0.17 -4.52 -0.09 0.00 0.02 0.00 0.00 34.50 29.73 2whu s PRO 76 CO 0.04 -3.08 2.45 -3.47 -0.33 0.00 0.00 177.00 172.61 2whu n ASP 77 N 14.93 2.03 0.17 2.53 -0.08 -1.26 -4.19 116.55 130.68 2whu n ASP 77 Ca 0.33 -0.51 0.03 0.00 -1.51 0.00 0.00 54.79 53.13 2whu n ASP 77 Cb 0.54 -1.51 0.42 0.00 2.34 0.00 0.00 41.12 42.90 2whu n ASP 77 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2whu h TYR 78 N 18.31 0.09 0.03 -0.67 3.20 -1.91 -2.45 116.97 133.56 2whu h TYR 78 Ca -0.20 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.50 2whu h TYR 78 Cb 1.25 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2whu h TYR 78 CO 0.99 0.31 -0.82 0.74 -1.64 0.00 0.00 178.16 177.75 2whu h PHE 79 N 0.08 0.10 0.00 -3.82 0.04 -1.95 -3.19 116.94 108.21 2whu h PHE 79 Ca 0.01 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2whu h PHE 79 Cb 0.45 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2whu h PHE 79 CO 0.00 1.32 -0.09 0.87 -0.60 0.00 0.00 178.31 179.81 2whu h LYS 80 N -0.85 0.00 0.00 1.51 1.57 -1.87 -1.92 116.57 115.01 2whu h LYS 80 Ca -0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2whu h LYS 80 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2whu h LYS 80 CO -0.07 0.09 -0.09 1.96 -0.57 0.00 0.00 179.45 180.77 2whu h GLN 81 N 0.00 0.00 0.00 3.15 4.20 -1.47 -3.07 115.11 117.91 2whu h GLN 81 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2whu h GLN 81 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2whu h GLN 81 CO 0.01 0.09 -0.64 0.66 -0.67 0.00 0.00 178.83 178.28 2whu h SER 82 N 0.00 0.00 -4.11 1.46 4.64 -1.33 -3.46 113.55 110.74 2whu h SER 82 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2whu h SER 82 Cb 0.57 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.70 2whu h SER 82 CO 0.01 0.64 0.32 -0.36 -0.87 0.00 0.00 176.83 176.57 2whu s PHE 83 N -3.37 3.58 -0.12 4.77 0.40 -1.16 -1.99 117.98 120.08 2whu s PHE 83 Ca -0.00 1.19 0.30 0.00 -0.60 0.00 0.00 56.93 57.82 2whu s PHE 83 Cb 0.11 -2.61 1.17 0.00 0.51 0.00 0.00 43.02 42.20 2whu s PHE 83 CO 0.76 -0.52 1.88 -1.35 0.70 0.00 0.00 175.22 176.69 2whu h PRO 84 N 0.07 0.00 -0.52 0.24 0.11 -1.89 -3.45 132.00 126.56 2whu h PRO 84 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.77 2whu h PRO 84 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2whu h PRO 84 CO 0.62 0.00 0.36 0.93 -0.21 0.00 0.00 178.00 179.70 2whu h GLU 85 N 0.00 0.20 0.00 1.05 3.07 -1.93 -3.38 114.58 113.59 2whu h GLU 85 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2whu h GLU 85 Cb 0.52 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2whu h GLU 85 CO 0.00 0.13 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 2whu n GLY 86 N -1.57 -0.60 3.34 -3.84 0.00 -0.84 -4.72 105.19 96.95 2whu n GLY 86 Ca 0.09 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2whu n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2whu s TYR 87 N 0.00 -0.08 0.37 1.61 -0.85 -0.94 0.11 117.35 117.57 2whu s TYR 87 Ca 0.00 -0.26 0.08 0.00 -0.52 0.00 0.00 57.07 56.37 2whu s TYR 87 Cb 0.00 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 2whu s TYR 87 CO 0.00 -0.72 0.30 0.95 -1.52 0.00 0.00 175.55 174.56 2whu s THR 88 N -3.84 3.03 0.08 -3.49 -4.23 0.19 0.03 115.64 107.42 2whu s THR 88 Ca 0.06 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 2whu s THR 88 Cb 0.02 -3.07 0.06 0.00 1.34 0.00 0.00 72.50 70.85 2whu s THR 88 CO -0.09 -0.10 0.59 -1.66 -0.54 0.00 0.00 174.62 172.82 2whu s TRP 89 N -2.41 -0.52 -0.21 3.99 1.48 -1.10 -1.03 118.94 119.14 2whu s TRP 89 Ca 0.43 0.53 0.01 0.00 -1.06 0.00 0.00 56.10 56.01 2whu s TRP 89 Cb -0.04 0.45 0.04 0.00 -1.16 0.00 0.00 33.47 32.77 2whu s TRP 89 CO 0.26 -0.73 -0.13 -1.21 -4.06 0.00 0.00 176.95 171.08 2whu s GLU 90 N -2.82 2.28 0.49 3.25 0.41 -0.43 -0.68 118.70 121.20 2whu s GLU 90 Ca -0.03 -0.93 0.03 0.00 -0.41 0.00 0.00 54.97 53.63 2whu s GLU 90 Cb -0.01 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 2whu s GLU 90 CO -0.05 -0.40 0.69 0.50 -0.49 0.00 0.00 175.26 175.51 2whu s ARG 91 N 1.32 2.72 -0.27 1.61 3.52 -0.20 -1.60 118.95 126.04 2whu s ARG 91 Ca -0.01 -0.88 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 2whu s ARG 91 Cb -0.16 -2.59 0.12 0.00 -1.56 0.00 0.00 34.95 30.76 2whu s ARG 91 CO -0.09 -0.49 0.58 -1.54 -0.81 0.00 0.00 175.30 172.95 2whu s SER 92 N -4.36 -0.89 -0.54 -2.12 1.04 -0.97 -2.53 113.70 103.33 2whu s SER 92 Ca 0.55 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 2whu s SER 92 Cb -0.10 2.02 0.14 0.00 0.10 0.00 0.00 66.02 68.17 2whu s SER 92 CO 0.36 -0.23 0.45 -0.04 0.98 0.00 0.00 173.24 174.77 2whu s MET 93 N 2.81 2.77 -0.19 4.02 1.00 -0.39 -1.21 119.30 128.12 2whu s MET 93 Ca -0.04 -1.86 -0.17 0.00 0.00 0.00 0.00 55.69 53.63 2whu s MET 93 Cb -0.12 -4.09 -0.04 0.00 0.00 0.00 0.00 34.83 30.58 2whu s MET 93 CO -0.17 -1.25 0.43 -0.80 0.00 0.00 0.00 175.02 173.23 2whu s ASN 94 N 2.83 6.49 0.32 3.03 0.01 -1.14 -1.93 114.94 124.56 2whu s ASN 94 Ca 0.07 0.58 0.07 0.00 -0.71 0.00 0.00 52.86 52.86 2whu s ASN 94 Cb -0.26 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 2whu s ASN 94 CO -0.00 -0.09 0.43 -0.36 -1.51 0.00 0.00 177.10 175.57 2whu s PHE 95 N 1.31 3.12 0.06 2.20 0.08 0.15 -1.44 117.98 123.46 2whu s PHE 95 Ca 0.21 -0.21 -0.25 0.00 0.12 0.00 0.00 56.93 56.80 2whu s PHE 95 Cb -0.15 -1.91 -0.17 0.00 -0.57 0.00 0.00 43.02 40.22 2whu s PHE 95 CO 0.08 0.07 1.58 1.05 -0.10 0.00 0.00 175.22 177.90 2whu h GLU 96 N 0.98 -0.12 -0.17 0.44 4.11 -1.84 -2.71 114.58 115.26 2whu h GLU 96 Ca -0.46 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2whu h GLU 96 Cb 1.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2whu h GLU 96 CO 0.54 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.27 2whu n ASP 97 N -5.08 0.17 0.00 3.06 5.68 -1.26 -4.82 116.55 114.29 2whu n ASP 97 Ca -0.08 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 2whu n ASP 97 Cb 0.13 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2whu n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2whu n GLY 98 N 0.13 1.80 3.70 6.12 0.00 -1.02 -4.76 105.19 111.16 2whu n GLY 98 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2whu n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whu n ALA 99 N -1.30 2.30 -2.62 4.61 0.00 -1.24 -4.79 120.51 117.47 2whu n ALA 99 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 2whu n ALA 99 Cb 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 19.45 16.86 2whu n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2whu s VAL 100 N 1.64 3.53 -0.03 0.00 1.01 -1.10 -0.67 120.40 124.78 2whu s VAL 100 Ca 0.78 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2whu s VAL 100 Cb -0.54 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.13 2whu s VAL 100 CO 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 175.10 175.43 2whu s THR 102 N 1.13 5.23 0.03 0.00 -4.23 -0.00 -1.26 115.64 116.55 2whu s THR 102 Ca -0.08 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2whu s THR 102 Cb -0.13 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2whu s THR 102 CO -0.02 0.50 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.80 2whu s VAL 103 N -1.12 0.38 -0.06 2.29 1.01 -1.05 -1.24 120.40 120.61 2whu s VAL 103 Ca 0.19 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2whu s VAL 103 Cb -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2whu s VAL 103 CO 0.09 -0.42 0.35 -0.94 0.00 0.00 0.00 175.10 174.19 2whu s SER 104 N -1.50 -0.28 0.28 3.32 1.04 -0.29 -1.04 113.70 115.23 2whu s SER 104 Ca -0.12 0.37 0.11 0.00 0.48 0.00 0.00 55.95 56.79 2whu s SER 104 Cb -0.10 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2whu s SER 104 CO -0.00 -0.33 -0.17 0.21 0.98 0.00 0.00 173.24 173.92 2whu s ASN 105 N -0.73 3.48 -0.02 7.02 2.47 0.15 -1.21 114.94 126.09 2whu s ASN 105 Ca -0.08 -1.06 0.01 0.00 0.42 0.00 0.00 52.86 52.15 2whu s ASN 105 Cb -0.04 -0.29 0.02 0.00 -1.45 0.00 0.00 41.25 39.49 2whu s ASN 105 CO 0.03 -0.03 -0.01 -0.62 -3.72 0.00 0.00 177.10 172.75 2whu s ASP 106 N -3.50 0.47 -0.00 -4.21 -1.08 -0.83 -2.71 116.67 104.80 2whu s ASP 106 Ca 0.30 -0.05 0.08 0.00 -0.52 0.00 0.00 52.55 52.36 2whu s ASP 106 Cb -0.03 -0.21 -0.02 0.00 -1.46 0.00 0.00 42.92 41.20 2whu s ASP 106 CO 0.14 -0.06 -0.24 -0.44 0.52 0.00 0.00 175.17 175.09 2whu s SER 107 N 0.75 2.85 0.06 -0.34 0.01 0.10 -1.30 113.70 115.83 2whu s SER 107 Ca -0.08 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 2whu s SER 107 Cb -0.11 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2whu s SER 107 CO -0.01 0.28 0.10 -1.54 0.41 0.00 0.00 173.24 172.47 2whu n SER 108 N 2.32 -0.27 -3.94 2.44 3.41 -0.89 -2.21 113.62 114.47 2whu n SER 108 Ca -0.16 -1.31 -0.09 0.00 -0.26 0.00 0.00 58.87 57.05 2whu n SER 108 Cb 0.52 0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.89 2whu n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2whu s ILE 109 N -2.59 0.07 -0.44 -1.33 2.07 -1.26 -1.31 121.20 116.41 2whu s ILE 109 Ca 0.04 -1.34 0.08 0.00 -1.41 0.00 0.00 60.65 58.02 2whu s ILE 109 Cb -0.00 -1.80 0.29 0.00 0.13 0.00 0.00 42.46 41.07 2whu s ILE 109 CO 0.03 -0.31 0.83 1.67 -1.91 0.00 0.00 174.94 175.26 2whu n GLN 110 N -0.21 0.86 0.00 3.50 -0.06 -0.71 -4.94 117.38 115.82 2whu n GLN 110 Ca -0.08 -2.45 0.00 0.00 -2.00 0.00 0.00 57.00 52.47 2whu n GLN 110 Cb 0.63 -1.34 0.00 0.00 -4.06 0.00 0.00 30.24 25.47 2whu n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2whu n GLY 111 N 0.98 1.71 1.27 1.69 0.00 -1.26 -3.57 105.19 106.01 2whu n GLY 111 Ca 0.14 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.40 2whu n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whu n ASN 112 N 5.54 4.05 -3.53 1.61 3.02 -1.26 -4.95 115.26 119.75 2whu n ASN 112 Ca 0.00 -2.22 -0.06 0.00 -0.03 0.00 0.00 54.58 52.27 2whu n ASN 112 Cb 0.00 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 2whu n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2whu s PHE 114 N 2.67 1.24 -0.19 0.00 0.08 -0.72 -1.73 117.98 119.32 2whu s PHE 114 Ca 0.03 0.40 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 2whu s PHE 114 Cb -0.13 -3.86 0.09 0.00 -0.57 0.00 0.00 43.02 38.54 2whu s PHE 114 CO -0.15 -3.07 0.22 0.42 -0.10 0.00 0.00 175.22 172.54 2whu s ILE 115 N -3.56 -0.33 -0.15 0.64 1.01 -0.43 -1.93 121.20 116.44 2whu s ILE 115 Ca 0.73 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 2whu s ILE 115 Cb -0.06 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2whu s ILE 115 CO 0.54 -0.15 -0.00 -0.31 0.00 0.00 0.00 174.94 175.02 2whu s TYR 116 N 2.34 3.11 -0.35 3.97 2.02 -0.10 -2.08 117.35 126.25 2whu s TYR 116 Ca 0.06 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 2whu s TYR 116 Cb -0.15 -1.96 0.10 0.00 -0.40 0.00 0.00 41.96 39.56 2whu s TYR 116 CO -0.11 0.11 0.07 1.21 -1.57 0.00 0.00 175.55 175.26 2whu s ASN 117 N 0.12 4.65 -0.12 2.29 3.84 -0.42 -1.20 114.94 124.10 2whu s ASN 117 Ca 0.01 -2.16 -0.02 0.00 0.21 0.00 0.00 52.86 50.90 2whu s ASN 117 Cb -0.13 -1.54 -0.03 0.00 -0.55 0.00 0.00 41.25 39.00 2whu s ASN 117 CO 0.02 -0.37 -0.05 0.54 -2.79 0.00 0.00 177.10 174.45 2whu s VAL 118 N 0.90 3.83 -0.12 -5.21 0.11 -0.92 -1.97 120.40 117.01 2whu s VAL 118 Ca 0.11 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2whu s VAL 118 Cb -0.19 -2.63 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2whu s VAL 118 CO -0.09 0.54 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.51 2whu s LYS 119 N -0.13 2.39 -0.03 1.54 1.02 -0.35 -2.12 119.74 122.06 2whu s LYS 119 Ca 0.02 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.42 2whu s LYS 119 Cb -0.13 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 2whu s LYS 119 CO 0.03 -0.10 -0.09 -1.50 -0.92 0.00 0.00 175.35 172.77 2whu s ILE 120 N 1.07 0.78 -0.14 2.17 2.07 -0.87 -1.14 121.20 125.14 2whu s ILE 120 Ca -0.04 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 2whu s ILE 120 Cb -0.14 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.75 2whu s ILE 120 CO -0.04 0.25 -0.16 -0.55 -1.91 0.00 0.00 174.94 172.53 2whu s SER 121 N 0.38 2.71 -0.07 4.50 0.15 -0.37 -1.63 113.70 119.37 2whu s SER 121 Ca -0.06 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 2whu s SER 121 Cb -0.11 -1.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2whu s SER 121 CO 0.01 -0.01 -0.04 -0.83 1.20 0.00 0.00 173.24 173.57 2whu s GLY 122 N 1.22 0.57 0.27 9.45 0.00 -0.01 -0.82 107.32 118.01 2whu s GLY 122 Ca -0.00 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.53 2whu s GLY 122 CO -0.07 0.75 0.18 -0.54 0.00 0.00 0.00 173.10 173.42 2whu s GLU 123 N 1.46 1.49 -0.06 2.90 2.02 -1.21 0.22 118.70 125.52 2whu s GLU 123 Ca -0.02 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.14 2whu s GLU 123 Cb -0.13 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2whu s GLU 123 CO -0.03 -0.48 0.00 0.09 0.02 0.00 0.00 175.26 174.86 2whu n ASN 124 N -0.85 -4.11 -4.67 -0.19 4.13 -1.26 -2.72 115.26 105.59 2whu n ASN 124 Ca 0.03 0.01 -0.42 0.00 1.68 0.00 0.00 54.58 55.89 2whu n ASN 124 Cb 0.65 -1.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.20 2whu n ASN 124 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2whu s PHE 125 N -1.67 1.75 0.19 3.10 0.08 -1.26 -3.60 117.98 116.56 2whu s PHE 125 Ca 0.00 -0.19 -0.33 0.00 0.12 0.00 0.00 56.93 56.53 2whu s PHE 125 Cb 0.00 -4.18 -0.15 0.00 -0.57 0.00 0.00 43.02 38.12 2whu s PHE 125 CO 0.00 -5.07 1.34 -2.30 -0.10 0.00 0.00 175.22 169.09 2whu n PRO 126 N 6.62 1.64 -0.34 0.24 -0.02 -1.26 -4.83 135.00 137.04 2whu n PRO 126 Ca 0.19 0.59 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 2whu n PRO 126 Cb 0.40 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.75 2whu n PRO 126 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2whu h PRO 127 N 4.19 -0.02 -0.66 0.52 0.10 -2.02 0.33 132.00 134.44 2whu h PRO 127 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.65 2whu h PRO 127 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.41 2whu h PRO 127 CO 0.76 -0.01 0.00 -1.71 0.10 0.00 0.00 178.00 177.13 2whu n ASN 128 N -5.52 4.50 -4.68 -2.05 5.15 -1.26 -4.70 115.26 106.70 2whu n ASN 128 Ca 0.11 -2.64 -0.30 0.00 -0.60 0.00 0.00 54.58 51.15 2whu n ASN 128 Cb 0.42 -0.62 0.16 0.00 -0.53 0.00 0.00 39.78 39.21 2whu n ASN 128 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2whu s GLY 129 N -0.65 1.63 0.42 8.20 0.00 0.11 -4.87 107.32 112.16 2whu s GLY 129 Ca 0.42 0.14 0.10 0.00 0.00 0.00 0.00 44.72 45.38 2whu s GLY 129 CO 0.14 0.62 2.02 -2.55 0.00 0.00 0.00 173.10 173.33 2whu h PRO 130 N -1.74 0.48 0.48 2.90 0.11 -1.94 -1.94 132.00 130.36 2whu h PRO 130 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2whu h PRO 130 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2whu h PRO 130 CO 0.50 0.32 -0.23 0.28 -0.21 0.00 0.00 178.00 178.66 2whu h VAL 131 N 0.50 0.00 -0.41 3.15 2.07 -1.92 1.05 116.25 120.69 2whu h VAL 131 Ca 0.22 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2whu h VAL 131 Cb 0.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2whu h VAL 131 CO -0.06 0.00 0.29 0.24 0.02 0.00 0.00 177.57 178.07 2whu h MET 132 N -0.97 0.00 -0.26 1.57 2.86 -1.80 -0.00 114.93 116.33 2whu h MET 132 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2whu h MET 132 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2whu h MET 132 CO 0.11 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.12 2whu n GLN 133 N -4.40 1.49 -3.02 1.72 1.13 -0.73 -4.48 117.38 109.08 2whu n GLN 133 Ca 0.07 -0.68 -0.19 0.00 -1.94 0.00 0.00 57.00 54.26 2whu n GLN 133 Cb 0.49 -1.20 -0.00 0.00 0.11 0.00 0.00 30.24 29.63 2whu n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2whu n LYS 134 N 0.05 -3.04 -0.05 -1.09 5.02 -0.41 -4.83 118.16 113.81 2whu n LYS 134 Ca 0.06 0.50 0.07 0.00 -2.02 0.00 0.00 58.31 56.92 2whu n LYS 134 Cb 0.19 -5.17 0.32 0.00 -0.02 0.00 0.00 35.03 30.35 2whu n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2whu n LYS 135 N -3.38 1.32 -3.88 1.97 4.76 0.36 -4.91 118.16 114.39 2whu n LYS 135 Ca -0.06 -0.48 -0.30 0.00 -2.87 0.00 0.00 58.31 54.60 2whu n LYS 135 Cb 0.56 -1.25 -0.04 0.00 -1.84 0.00 0.00 35.03 32.47 2whu n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2whu s THR 136 N -1.87 5.35 -0.36 -0.18 -4.23 -1.26 -2.82 115.64 110.27 2whu s THR 136 Ca 0.22 -0.37 0.14 0.00 -1.18 0.00 0.00 61.69 60.50 2whu s THR 136 Cb 0.11 -3.65 0.43 0.00 1.34 0.00 0.00 72.50 70.73 2whu s THR 136 CO 0.17 0.09 0.94 0.00 -0.54 0.00 0.00 174.62 175.28 2whu n GLN 137 N 0.14 1.59 0.00 3.99 6.02 -1.10 -4.96 117.38 123.07 2whu n GLN 137 Ca -0.05 -3.56 0.00 0.00 -0.01 0.00 0.00 57.00 53.38 2whu n GLN 137 Cb 0.52 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.24 2whu n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2whu n GLY 138 N -0.08 2.90 3.88 1.08 0.00 -1.26 -4.75 105.19 106.96 2whu n GLY 138 Ca 0.18 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2whu n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2whu s TRP 139 N -2.71 3.55 0.39 1.61 0.52 -1.26 -0.11 118.94 120.94 2whu s TRP 139 Ca 0.00 0.63 -0.25 0.00 0.02 0.00 0.00 56.10 56.50 2whu s TRP 139 Cb 0.00 -2.05 -0.09 0.00 -1.15 0.00 0.00 33.47 30.19 2whu s TRP 139 CO 0.00 0.54 1.15 -1.21 0.02 0.00 0.00 176.95 177.45 2whu s GLU 140 N -2.05 4.10 0.15 4.98 0.41 -0.69 -4.88 118.70 120.73 2whu s GLU 140 Ca 0.33 1.80 -0.21 0.00 -0.41 0.00 0.00 54.97 56.47 2whu s GLU 140 Cb -0.13 -2.69 -0.13 0.00 -1.78 0.00 0.00 34.13 29.40 2whu s GLU 140 CO 0.19 -0.27 0.40 -2.30 -0.49 0.00 0.00 175.26 172.79 2whu n PRO 141 N 0.11 0.00 -2.30 0.39 -0.02 -1.26 -4.76 135.00 127.17 2whu n PRO 141 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 2whu n PRO 141 Cb 0.47 -0.76 -0.01 0.00 -0.02 0.00 0.00 33.50 33.17 2whu n PRO 141 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2whu n SER 142 N 1.50 -0.32 -3.62 2.55 3.41 -0.12 -4.98 113.62 112.05 2whu n SER 142 Ca 0.14 -1.52 -0.26 0.00 -0.26 0.00 0.00 58.87 56.97 2whu n SER 142 Cb 0.19 0.62 -0.17 0.00 -0.26 0.00 0.00 64.21 64.58 2whu n SER 142 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2whu s THR 143 N -2.49 -0.04 -0.06 6.66 2.01 -1.21 0.22 115.64 120.72 2whu s THR 143 Ca 0.08 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 2whu s THR 143 Cb -0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2whu s THR 143 CO 0.06 -0.27 0.19 -0.70 -0.69 0.00 0.00 174.62 173.21 2whu s GLU 144 N 2.12 3.49 -0.65 4.92 2.12 0.38 -4.59 118.70 126.49 2whu s GLU 144 Ca 0.02 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.20 2whu s GLU 144 Cb -0.16 -3.15 0.16 0.00 0.26 0.00 0.00 34.13 31.25 2whu s GLU 144 CO -0.09 0.73 0.46 1.03 -0.54 0.00 0.00 175.26 176.85 2whu s ARG 145 N -1.39 2.53 -0.23 4.30 0.52 -0.10 0.13 118.95 124.71 2whu s ARG 145 Ca 0.21 -2.78 -0.15 0.00 -0.52 0.00 0.00 55.73 52.49 2whu s ARG 145 Cb -0.13 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 2whu s ARG 145 CO 0.10 -1.19 0.38 -0.51 0.02 0.00 0.00 175.30 174.11 2whu s LEU 146 N -0.50 4.10 0.00 2.53 1.02 -0.54 -3.12 118.68 122.16 2whu s LEU 146 Ca 0.20 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.75 2whu s LEU 146 Cb -0.18 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.57 2whu s LEU 146 CO -0.05 -0.13 0.00 2.22 0.02 0.00 0.00 176.35 178.41 2whu n PHE 147 N 4.88 -1.05 -4.72 0.29 1.16 -0.62 -0.77 117.46 116.63 2whu n PHE 147 Ca -0.08 -0.04 -0.31 0.00 -1.87 0.00 0.00 57.45 55.14 2whu n PHE 147 Cb 0.51 -0.01 -0.13 0.00 -1.61 0.00 0.00 39.48 38.25 2whu n PHE 147 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2whu s ALA 148 N -2.01 2.64 -0.23 1.98 0.00 -1.26 -1.02 121.76 121.85 2whu s ALA 148 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 2whu s ALA 148 Cb -0.00 -0.83 0.10 0.00 0.00 0.00 0.00 23.12 22.39 2whu s ALA 148 CO 0.00 0.57 0.50 0.50 0.00 0.00 0.00 175.76 177.34 2whu s ARG 149 N -1.24 0.43 -1.53 0.00 3.52 -0.19 -4.90 118.95 115.04 2whu s ARG 149 Ca 0.14 1.15 -0.08 0.00 -0.13 0.00 0.00 55.73 56.81 2whu s ARG 149 Cb -0.11 0.45 0.07 0.00 -1.56 0.00 0.00 34.95 33.80 2whu s ARG 149 CO 0.04 -0.22 0.59 -0.25 -0.81 0.00 0.00 175.30 174.65 2whu n ASP 150 N 5.25 -1.76 0.00 -2.12 8.00 -1.26 0.03 116.55 124.68 2whu n ASP 150 Ca -0.12 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2whu n ASP 150 Cb 0.50 -2.97 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2whu n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whu n GLY 151 N -1.75 2.75 3.91 0.44 0.00 -1.26 -4.99 105.19 104.28 2whu n GLY 151 Ca -0.14 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2whu n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2whu s MET 152 N 0.00 2.72 -0.10 1.61 -1.94 0.10 -4.80 119.30 116.91 2whu s MET 152 Ca 0.00 0.01 0.04 0.00 -1.71 0.00 0.00 55.69 54.03 2whu s MET 152 Cb 0.00 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.64 2whu s MET 152 CO 0.00 -0.90 -0.22 -1.17 -0.01 0.00 0.00 175.02 172.72 2whu s LEU 153 N -5.12 2.03 -0.14 -0.03 2.96 -1.11 -1.02 118.68 116.25 2whu s LEU 153 Ca 0.56 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2whu s LEU 153 Cb -0.11 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 2whu s LEU 153 CO 0.46 0.14 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.90 2whu s ILE 154 N 0.39 3.28 0.09 6.68 -1.09 -0.19 -1.29 121.20 129.07 2whu s ILE 154 Ca -0.18 -0.58 0.05 0.00 -2.23 0.00 0.00 60.65 57.71 2whu s ILE 154 Cb -0.18 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2whu s ILE 154 CO 0.08 0.51 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.47 2whu s GLY 155 N 0.39 1.91 -0.04 6.18 0.00 -1.21 -1.59 107.32 112.96 2whu s GLY 155 Ca -0.09 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 2whu s GLY 155 CO 0.05 -1.09 0.15 -1.31 0.00 0.00 0.00 173.10 170.90 2whu s ASN 156 N -2.28 -0.12 -0.15 1.64 0.01 -1.18 -2.23 114.94 110.62 2whu s ASN 156 Ca 0.25 0.19 -0.07 0.00 -0.71 0.00 0.00 52.86 52.52 2whu s ASN 156 Cb -0.12 0.30 0.07 0.00 0.41 0.00 0.00 41.25 41.91 2whu s ASN 156 CO 0.18 -0.14 0.35 -0.62 -1.51 0.00 0.00 177.10 175.36 2whu s ASP 157 N -0.29 -0.21 -0.46 -1.22 -1.08 -0.96 -0.92 116.67 111.53 2whu s ASP 157 Ca -0.04 0.78 -0.14 0.00 -0.52 0.00 0.00 52.55 52.63 2whu s ASP 157 Cb -0.03 0.82 0.07 0.00 -1.46 0.00 0.00 42.92 42.33 2whu s ASP 157 CO 0.01 -0.21 0.36 -0.31 0.52 0.00 0.00 175.17 175.54 2whu s TYR 158 N 1.89 3.27 0.15 -5.34 2.02 -1.26 -1.49 117.35 116.58 2whu s TYR 158 Ca -0.05 -1.06 0.04 0.00 -0.37 0.00 0.00 57.07 55.63 2whu s TYR 158 Cb -0.10 -3.12 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 2whu s TYR 158 CO -0.11 -0.81 0.15 -1.64 -1.57 0.00 0.00 175.55 171.58 2whu s MET 159 N 1.59 2.99 0.01 -0.62 -1.94 -0.43 -4.93 119.30 115.97 2whu s MET 159 Ca 0.04 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.20 2whu s MET 159 Cb -0.24 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 2whu s MET 159 CO 0.06 0.50 0.02 0.00 -0.01 0.00 0.00 175.02 175.59 2whu s ALA 160 N -1.70 -0.03 -0.25 3.03 0.00 -1.26 -1.66 121.76 119.89 2whu s ALA 160 Ca 0.31 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 2whu s ALA 160 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2whu s ALA 160 CO 0.24 -0.13 0.28 -0.51 0.00 0.00 0.00 175.76 175.64 2whu s LEU 161 N -1.00 4.08 -0.04 0.00 1.43 0.42 -1.70 118.68 121.87 2whu s LEU 161 Ca -0.11 0.21 -0.37 0.00 -1.03 0.00 0.00 54.13 52.84 2whu s LEU 161 Cb -0.07 -2.28 -0.15 0.00 0.03 0.00 0.00 46.19 43.72 2whu s LEU 161 CO -0.00 -0.06 1.60 0.29 0.23 0.00 0.00 176.35 178.40 2whu n LYS 162 N 4.82 1.51 -4.17 1.70 5.02 0.84 0.32 118.16 128.19 2whu n LYS 162 Ca -0.12 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.47 2whu n LYS 162 Cb 0.51 -2.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.19 2whu n LYS 162 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2whu s LEU 163 N 2.12 3.48 0.28 -0.35 1.43 -0.72 -2.69 118.68 122.22 2whu s LEU 163 Ca 0.89 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2whu s LEU 163 Cb -0.89 -2.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.10 2whu s LEU 163 CO 0.52 0.06 1.37 1.21 0.23 0.00 0.00 176.35 179.74 2whu n GLU 164 N -0.35 2.10 -0.82 1.70 2.13 -1.13 -2.07 120.64 122.20 2whu n GLU 164 Ca -0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2whu n GLU 164 Cb 0.56 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2whu n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2whu n GLY 165 N 1.64 0.89 1.47 8.31 0.00 -1.26 -4.27 105.19 111.97 2whu n GLY 165 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2whu n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whu n GLY 166 N -2.06 0.55 2.73 -0.02 0.00 -0.88 -5.09 105.19 100.42 2whu n GLY 166 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2whu n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whu n GLY 167 N -2.74 -1.46 3.15 -0.02 0.00 -1.23 -4.86 105.19 98.04 2whu n GLY 167 Ca 0.00 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 2whu n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whu s HIS 168 N -3.03 1.27 -0.08 1.61 3.76 -1.26 -1.75 115.29 115.80 2whu s HIS 168 Ca 0.53 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 2whu s HIS 168 Cb -0.02 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.94 2whu s HIS 168 CO 0.38 0.04 -0.15 -0.47 -0.85 0.00 0.00 174.74 173.69 2whu s TYR 169 N -0.90 1.79 0.15 1.40 5.04 0.15 -4.93 117.35 120.06 2whu s TYR 169 Ca 0.02 -0.73 0.04 0.00 -2.44 0.00 0.00 57.07 53.96 2whu s TYR 169 Cb -0.08 -1.28 -0.04 0.00 0.35 0.00 0.00 41.96 40.92 2whu s TYR 169 CO 0.01 -0.35 0.20 -0.51 -1.34 0.00 0.00 175.55 173.56 2whu s LEU 170 N 0.70 4.04 -0.24 6.97 1.43 -1.26 0.16 118.68 130.47 2whu s LEU 170 Ca -0.13 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2whu s LEU 170 Cb -0.16 -2.63 0.09 0.00 0.03 0.00 0.00 46.19 43.52 2whu s LEU 170 CO 0.03 0.07 0.55 0.00 0.23 0.00 0.00 176.35 177.24 2whu s GLU 172 N 2.08 3.40 -0.18 0.00 2.12 -0.52 -1.32 118.70 124.28 2whu s GLU 172 Ca -0.07 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.13 2whu s GLU 172 Cb -0.09 -4.79 -0.06 0.00 0.26 0.00 0.00 34.13 29.44 2whu s GLU 172 CO -0.16 -2.11 2.17 1.19 -0.54 0.00 0.00 175.26 175.81 2whu n PHE 173 N 8.74 2.03 -3.62 5.30 3.01 -0.56 -2.88 117.46 129.50 2whu n PHE 173 Ca 0.18 -0.13 -0.40 0.00 1.01 0.00 0.00 57.45 58.11 2whu n PHE 173 Cb 0.50 -2.72 -0.10 0.00 -0.01 0.00 0.00 39.48 37.14 2whu n PHE 173 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2whu s LYS 174 N 5.99 2.49 0.66 -1.08 1.02 -0.35 -2.27 119.74 126.20 2whu s LYS 174 Ca 0.99 -1.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 2whu s LYS 174 Cb -0.40 -3.78 0.07 0.00 -0.52 0.00 0.00 37.83 33.19 2whu s LYS 174 CO 0.38 -1.03 0.93 -1.12 -0.92 0.00 0.00 175.35 173.59 2whu s SER 175 N 2.22 4.85 -0.28 2.83 0.01 -0.95 -2.30 113.70 120.08 2whu s SER 175 Ca 0.04 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2whu s SER 175 Cb -0.24 -0.80 0.17 0.00 0.21 0.00 0.00 66.02 65.36 2whu s SER 175 CO 0.00 -1.51 0.49 -0.89 0.41 0.00 0.00 173.24 171.74 2whu s THR 176 N -3.07 -0.80 0.27 1.44 2.01 -0.63 -3.34 115.64 111.53 2whu s THR 176 Ca 0.61 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.55 2whu s THR 176 Cb -0.09 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2whu s THR 176 CO 0.42 -0.12 0.38 -0.31 -0.69 0.00 0.00 174.62 174.31 2whu s TYR 177 N 2.68 3.32 -0.30 4.92 4.12 -0.41 -1.32 117.35 130.36 2whu s TYR 177 Ca 0.13 -0.09 -0.07 0.00 0.02 0.00 0.00 57.07 57.06 2whu s TYR 177 Cb -0.13 -1.69 0.18 0.00 -1.52 0.00 0.00 41.96 38.81 2whu s TYR 177 CO -0.24 0.31 0.87 0.21 0.02 0.00 0.00 175.55 176.72 2whu s LYS 178 N -4.03 0.33 0.63 -0.62 2.20 -0.20 -2.76 119.74 115.28 2whu s LYS 178 Ca 0.37 0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.37 2whu s LYS 178 Cb -0.09 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2whu s LYS 178 CO 0.29 -0.44 1.03 0.00 -0.36 0.00 0.00 175.35 175.88 2whu s ALA 179 N 2.91 3.04 -0.80 3.13 0.00 -1.26 0.53 121.76 129.32 2whu s ALA 179 Ca 0.11 -0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.26 2whu s ALA 179 Cb -0.10 -3.09 0.34 0.00 0.00 0.00 0.00 23.12 20.27 2whu s ALA 179 CO -0.18 -0.74 1.29 1.63 0.00 0.00 0.00 175.76 177.76 2whu n LYS 180 N -2.75 0.16 -4.58 0.00 5.02 0.12 -4.84 118.16 111.28 2whu n LYS 180 Ca 0.06 0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 2whu n LYS 180 Cb 0.54 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 2whu n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2whu s LYS 181 N -3.10 1.90 0.53 1.97 -2.85 -1.26 -5.04 119.74 111.89 2whu s LYS 181 Ca 0.08 -2.09 -0.21 0.00 -1.00 0.00 0.00 55.97 52.75 2whu s LYS 181 Cb 0.15 -1.34 -0.05 0.00 -2.06 0.00 0.00 37.83 34.53 2whu s LYS 181 CO 0.73 -0.15 1.22 -2.14 0.10 0.00 0.00 175.35 175.11 2whu s PRO 182 N -3.78 3.32 0.21 1.78 0.02 -1.26 -5.05 135.00 130.23 2whu s PRO 182 Ca 0.31 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.18 2whu s PRO 182 Cb 0.08 -2.18 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 2whu s PRO 182 CO 0.15 -0.94 0.22 0.14 -0.33 0.00 0.00 177.00 176.24 2whu s VAL 183 N -1.52 0.00 -0.77 3.83 -7.23 -1.26 -5.05 120.40 108.39 2whu s VAL 183 Ca 0.71 -1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 58.79 2whu s VAL 183 Cb -0.31 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.27 2whu s VAL 183 CO 0.36 -0.02 1.24 0.00 -0.31 0.00 0.00 175.10 176.38 2whu s ARG 184 N -4.12 3.25 0.19 4.82 1.70 -1.26 -4.99 118.95 118.55 2whu s ARG 184 Ca 0.34 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.77 2whu s ARG 184 Cb 0.05 -4.39 -0.17 0.00 -0.57 0.00 0.00 34.95 29.87 2whu s ARG 184 CO 0.11 -2.09 0.77 -1.33 -1.08 0.00 0.00 175.30 171.68 2whu n MET 185 N 8.90 0.43 -1.30 3.89 2.81 -1.26 -4.73 117.12 125.87 2whu n MET 185 Ca 0.07 0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 56.01 2whu n MET 185 Cb 0.49 -1.35 0.06 0.00 -0.71 0.00 0.00 33.22 31.70 2whu n MET 185 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2whu n PRO 186 N 1.09 0.15 -4.43 0.03 -0.02 -1.26 -4.81 135.00 125.75 2whu n PRO 186 Ca 0.16 -1.07 -0.30 0.00 -2.02 0.00 0.00 63.50 60.27 2whu n PRO 186 Cb 0.25 -0.33 -0.05 0.00 -0.02 0.00 0.00 33.50 33.34 2whu n PRO 186 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2whu s GLY 187 N -3.65 2.76 -0.06 -1.23 0.00 -1.26 -4.70 107.32 99.18 2whu s GLY 187 Ca 0.28 -0.81 -0.27 0.00 0.00 0.00 0.00 44.72 43.91 2whu s GLY 187 CO 0.19 -2.10 0.77 0.54 0.00 0.00 0.00 173.10 172.51 2whu n ARG 188 N -1.42 0.00 -3.82 2.90 1.74 -1.26 -4.91 116.66 109.89 2whu n ARG 188 Ca -0.12 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 2whu n ARG 188 Cb 0.66 -1.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.12 2whu n ARG 188 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2whu s HIS 189 N 0.35 0.07 -0.01 -1.55 -3.43 0.05 -3.61 115.29 107.16 2whu s HIS 189 Ca 0.62 -0.69 -0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2whu s HIS 189 Cb -0.87 0.81 0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2whu s HIS 189 CO 0.41 -1.46 0.02 -1.21 -2.00 0.00 0.00 174.74 170.49 2whu s GLU 190 N -2.54 0.00 -0.20 -0.38 2.02 0.19 -1.47 118.70 116.32 2whu s GLU 190 Ca 0.15 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 2whu s GLU 190 Cb -0.05 -0.07 -0.00 0.00 0.10 0.00 0.00 34.13 34.11 2whu s GLU 190 CO 0.10 -0.05 -0.09 0.42 0.02 0.00 0.00 175.26 175.66 2whu s ILE 191 N 0.33 3.05 -0.27 -1.63 1.01 0.12 -1.30 121.20 122.52 2whu s ILE 191 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2whu s ILE 191 Cb -0.04 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2whu s ILE 191 CO -0.01 0.46 0.32 -1.81 0.00 0.00 0.00 174.94 173.90 2whu s ASP 192 N 1.32 6.20 0.11 3.58 1.01 0.35 0.14 116.67 129.38 2whu s ASP 192 Ca 0.04 0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.60 2whu s ASP 192 Cb -0.14 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 2whu s ASP 192 CO -0.04 -0.14 -0.20 -0.13 0.21 0.00 0.00 175.17 174.86 2whu s ARG 193 N 1.92 1.15 -0.38 8.23 0.52 0.13 -1.13 118.95 129.39 2whu s ARG 193 Ca 0.13 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.14 2whu s ARG 193 Cb -0.16 -1.37 0.14 0.00 0.52 0.00 0.00 34.95 34.08 2whu s ARG 193 CO 0.10 0.31 0.23 0.21 0.02 0.00 0.00 175.30 176.17 2whu s LYS 194 N -2.07 0.76 -0.53 3.54 2.20 -0.63 -0.94 119.74 122.07 2whu s LYS 194 Ca 0.08 -1.58 -0.19 0.00 -0.36 0.00 0.00 55.97 53.92 2whu s LYS 194 Cb -0.09 -1.55 0.07 0.00 -1.51 0.00 0.00 37.83 34.74 2whu s LYS 194 CO 0.05 -1.22 0.67 -1.17 -0.36 0.00 0.00 175.35 173.31 2whu s LEU 195 N 0.78 4.99 -0.20 5.43 2.96 -1.26 -3.41 118.68 127.96 2whu s LEU 195 Ca 0.20 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 2whu s LEU 195 Cb -0.20 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.09 2whu s LEU 195 CO -0.02 -0.97 -0.16 -1.81 -1.32 0.00 0.00 176.35 172.08 2whu s ASP 196 N 2.90 3.51 -0.23 3.68 1.01 -0.44 -4.64 116.67 122.47 2whu s ASP 196 Ca 0.15 -0.89 -0.39 0.00 0.71 0.00 0.00 52.55 52.14 2whu s ASP 196 Cb -0.20 -1.44 -0.15 0.00 1.01 0.00 0.00 42.92 42.14 2whu s ASP 196 CO 0.11 -0.08 1.76 0.52 0.21 0.00 0.00 175.17 177.69 2whu n VAL 197 N 4.59 0.35 -0.06 -1.27 0.31 -1.26 -1.78 118.33 119.21 2whu n VAL 197 Ca -0.18 -0.06 -0.17 0.00 -0.01 0.00 0.00 64.34 63.92 2whu n VAL 197 Cb 0.47 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 2whu n VAL 197 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2whu n THR 198 N 4.64 1.61 -3.64 2.52 -2.24 0.14 -4.94 114.28 112.38 2whu n THR 198 Ca 0.25 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2whu n THR 198 Cb 0.16 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 2whu n THR 198 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2whu s SER 199 N -6.54 -0.33 -0.06 3.42 1.04 -1.21 -4.98 113.70 105.04 2whu s SER 199 Ca -0.22 -0.33 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 2whu s SER 199 Cb 0.08 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.83 2whu s SER 199 CO 0.73 -1.00 0.66 -1.38 0.98 0.00 0.00 173.24 173.22 2whu s HIS 200 N -3.83 -0.63 0.76 5.02 -3.43 -1.26 0.40 115.29 112.32 2whu s HIS 200 Ca 0.06 1.11 -0.11 0.00 -0.80 0.00 0.00 55.06 55.32 2whu s HIS 200 Cb -0.01 0.38 0.05 0.00 -1.43 0.00 0.00 32.58 31.58 2whu s HIS 200 CO -0.07 -0.58 1.08 0.54 -2.00 0.00 0.00 174.74 173.71 2whu s ASN 201 N -1.13 4.65 0.45 7.38 2.20 -0.35 -4.96 114.94 123.19 2whu s ASN 201 Ca -0.11 1.73 0.16 0.00 -0.94 0.00 0.00 52.86 53.70 2whu s ASN 201 Cb -0.01 -2.47 1.10 0.00 -2.00 0.00 0.00 41.25 37.87 2whu s ASN 201 CO 0.09 -1.93 1.99 0.03 -2.94 0.00 0.00 177.10 174.34 2whu h ARG 202 N -1.06 0.32 -0.02 3.55 3.08 -2.02 -2.36 114.38 115.87 2whu h ARG 202 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2whu h ARG 202 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2whu h ARG 202 CO 0.53 0.21 0.00 -0.40 -1.07 0.00 0.00 179.97 179.24 2whu n ASP 203 N -4.46 1.92 -2.59 7.04 5.75 -1.26 -4.97 116.55 117.98 2whu n ASP 203 Ca 0.09 -1.64 -0.18 0.00 -0.01 0.00 0.00 54.79 53.06 2whu n ASP 203 Cb 0.41 -0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.54 2whu n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2whu n TYR 204 N 0.50 -1.85 -0.01 2.11 4.02 -0.89 -4.32 117.16 116.73 2whu n TYR 204 Ca 0.18 0.59 0.04 0.00 -0.01 0.00 0.00 57.90 58.69 2whu n TYR 204 Cb 0.42 -3.86 -0.13 0.00 -0.02 0.00 0.00 39.34 35.76 2whu n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2whu n THR 205 N -4.31 0.65 -4.84 -0.72 -2.24 -1.26 -4.73 114.28 96.82 2whu n THR 205 Ca -0.04 -0.63 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 2whu n THR 205 Cb 0.57 -0.30 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 2whu n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2whu s SER 206 N -5.12 3.90 0.00 3.42 0.01 -1.26 -0.80 113.70 113.86 2whu s SER 206 Ca -0.06 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2whu s SER 206 Cb 0.10 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 2whu s SER 206 CO 0.85 0.18 0.06 -0.69 0.41 0.00 0.00 173.24 174.05 2whu s VAL 207 N 0.26 0.07 -0.06 3.43 1.01 -1.23 -1.21 120.40 122.67 2whu s VAL 207 Ca -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2whu s VAL 207 Cb -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2whu s VAL 207 CO 0.06 -0.33 -0.15 -1.61 0.00 0.00 0.00 175.10 173.07 2whu s GLU 208 N -1.05 1.81 0.45 2.72 2.02 0.16 -1.38 118.70 123.43 2whu s GLU 208 Ca -0.11 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 54.43 2whu s GLU 208 Cb -0.07 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.66 2whu s GLU 208 CO 0.00 0.13 0.51 -0.65 0.02 0.00 0.00 175.26 175.27 2whu s GLN 209 N 0.35 2.59 -0.03 1.61 -0.21 -0.97 0.28 119.66 123.28 2whu s GLN 209 Ca -0.10 -1.48 -0.29 0.00 0.02 0.00 0.00 55.36 53.51 2whu s GLN 209 Cb -0.14 -2.53 0.08 0.00 1.00 0.00 0.00 33.01 31.42 2whu s GLN 209 CO 0.03 -0.34 0.73 0.00 -2.12 0.00 0.00 175.29 173.60 2whu s GLU 211 N -1.78 0.60 -0.08 0.00 2.12 -0.85 -1.32 118.70 117.39 2whu s GLU 211 Ca -0.06 0.71 0.04 0.00 0.36 0.00 0.00 54.97 56.02 2whu s GLU 211 Cb -0.00 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.67 2whu s GLU 211 CO 0.03 -0.07 -0.22 0.42 -0.54 0.00 0.00 175.26 174.88 2whu s ILE 212 N 0.27 2.29 -0.05 -3.70 1.01 -1.22 -1.16 121.20 118.63 2whu s ILE 212 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2whu s ILE 212 Cb -0.04 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.60 2whu s ILE 212 CO 0.01 0.56 0.06 0.00 0.00 0.00 0.00 174.94 175.57 2whu s ALA 213 N 0.02 0.25 0.01 9.38 0.00 0.99 -1.61 121.76 130.79 2whu s ALA 213 Ca -0.08 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2whu s ALA 213 Cb -0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 2whu s ALA 213 CO 0.05 -0.54 -0.04 0.42 0.00 0.00 0.00 175.76 175.66 2whu s ILE 214 N 2.17 0.25 0.29 0.00 1.01 -0.28 -1.12 121.20 123.52 2whu s ILE 214 Ca 0.05 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.38 2whu s ILE 214 Cb -0.12 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2whu s ILE 214 CO -0.03 -0.10 0.09 0.00 0.00 0.00 0.00 174.94 174.89 2whu s ALA 215 N -0.50 3.37 -0.06 9.38 0.00 -0.83 -0.50 121.76 132.62 2whu s ALA 215 Ca -0.03 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 49.95 2whu s ALA 215 Cb -0.04 -0.87 0.12 0.00 0.00 0.00 0.00 23.12 22.33 2whu s ALA 215 CO -0.00 0.18 1.36 -0.98 0.00 0.00 0.00 175.76 176.32 2whu s ARG 216 N -3.77 0.20 0.79 0.00 1.70 -0.42 -4.67 118.95 112.78 2whu s ARG 216 Ca 0.34 -0.12 -0.11 0.00 -0.47 0.00 0.00 55.73 55.37 2whu s ARG 216 Cb -0.05 0.06 0.07 0.00 -0.57 0.00 0.00 34.95 34.46 2whu s ARG 216 CO 0.22 -0.09 1.15 -1.01 -1.08 0.00 0.00 175.30 174.49 2whu s HIS 217 N -2.12 2.98 0.00 5.89 3.76 -1.26 0.54 115.29 125.08 2whu s HIS 217 Ca 0.21 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 2whu s HIS 217 Cb 0.04 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.31 2whu s HIS 217 CO -0.04 -1.68 0.00 0.43 -0.85 0.00 0.00 174.74 172.60 2whu n SER 218 N -3.24 0.00 0.00 1.40 7.64 -1.24 -4.55 113.62 113.63 2whu n SER 218 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2whu n SER 218 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2whu n SER 218 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21